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Home Imidazoles 108035-47-8
108035-47-8,MFCD06659077
Catalog No.:AA003HWS

108035-47-8 | 3-(1H-Imidazol-1-yl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$14.00   $10.00
- +
1g
98%
in stock  
$45.00   $32.00
- +
5g
98%
in stock  
$177.00   $124.00
- +
25g
98%
in stock  
$834.00   $584.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003HWS
Chemical Name:
3-(1H-Imidazol-1-yl)benzoic acid
CAS Number:
108035-47-8
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD06659077
SMILES:
OC(=O)c1cccc(c1)n1cncc1
Properties
Properties
 
BP:
427.6°C at 760 mmHg  
Form:
Solid  
MP:
194 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
220  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.2  

Downstream Synthesis Route

[1]Hagedorn,AlfredA.;Erhardt,PaulW.;Lumma,WilliamC.;Wohl,Ronald,A.;Cantor,Elinor;etal.[JournalofMedicinalChemistry,1987,vol.30,#8,p.1342-1347]

[1]Morgan,ThomasK.;Lis,Randall;Lumma,WilliamC.;Nickisch,Klaus;Wohl,RonaldA.;etal.[JournalofMedicinalChemistry,1990,vol.33,#4,p.1091-1097]

873662-50-1    108035-47-8   
3-imidazol-1-yl-<i>N</i>-{4-4-(5-methoxy-benzo<i>d</i>isoxazol-3-yl)-piperazin-1-yl-butyl}-benzamide 

[1]Leopoldo,Marcello;Lacivita,Enza;DeGiorgio,Paola;Colabufo,NicolaA.;Niso,Mauro;Berardi,Francesco;Perrone,Roberto[JournalofMedicinalChemistry,2006,vol.49,#1,p.358-365]

[1]Woltering,ThomasJ.;Adam,Geo;Wichmann,Juergen;Goetschi,Erwin;Kew,JamesN.C.;Knoflach,Frederic;Mutel,Vincent;Gatti,Silvia[BioorganicandMedicinalChemistryLetters,2008,vol.18,#3,p.1091-1095]

956488-93-0    108035-47-8   
3-(1H-imidazol-1-yl)-N-(3-(2-oxo-2,3-dihydro-1H-imidazo4,5-bpyridin-7-yloxy)phenyl)benzamide 

[1]Nourry,Arnaud;Zambon,Alfonso;Davies,Lawrence;Niculescu-Duvaz,Ion;Dijkstra,HarmenP.;Ménard,Delphine;Gaulon,Catherine;Niculescu-Duvaz,Dan;Suijkerbuijk,BartM.J.M.;Manne,FrankFriedlosHelenA.;Kirk,Ruth;Whittaker,Steven;Marais,Richard;Springer,CarolineJ.[JournalofMedicinalChemistry,2010,vol.53,#5,p.1964-1978]

Literature
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SDS
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Tags:108035-47-8 Molecular Formula|108035-47-8 MDL|108035-47-8 SMILES|108035-47-8 3-(1H-Imidazol-1-yl)benzoic acid